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4-Fluoro-L-Tryptophan

CAT: 0926-FF77467-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FF77467-01Size:25 mg
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CAS Number
106034-22-4
MDL Number
MFCD00137730
Smiles
C1=CC2=C (C (=C1) F) C (=CN2) C[C@@H] (C (=O) O) N
Molecular Formula
C11H11FN2O2
Molecular Weight
222.22 g/mol
Controlled
No

Chemical Information

L-4-Fluorotryptophan
CAS Number106034-22-4
PubChem CID688475
IUPAC Name(2S)-2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid
Molecular FormulaC11H11FN2O2
Molecular Weight222.22
XLogP-1.1
Topological Polar Surface Area79.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity275
SMILES
C1=CC2=C(C(=C1)F)C(=CN2)C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H11FN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)/t8-/m0/s1
InChIKey
DEBQMEYEKKWIKC-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of L-4-Fluorotryptophan
CAS: 106034-22-4
CID: 688475
Formula: C11H11FN2O2
MW: 222.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.22
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass222.08045576
Monoisotopic Mass222.08045576
Topological Polar Surface Area79.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity275
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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